SCHEMBL24620488

SCHEMBL24620488

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4C)CN(CCC(F)(F)F)CC5)ncc3C)c21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 11/20 0.42
▸ JAK2 O60674 1/20 0.37
▸ ALK Q9UM73 6/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BTK Q06187 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24620227 0.85 MAP4K1 (0.54) MAP4K1ALK
SCHEMBL24620276 0.83 BTK (0.45) MAP4K1ALKCDK4BTK
SCHEMBL24620188 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL24620264 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL24620485 0.81 BTK (0.47) MAP4K1ALKBTK
SCHEMBL24620226 0.77 ALK (0.56) MAP4K1ALK
SCHEMBL29791536 0.77 ALK (0.56) MAP4K1ALK
SCHEMBL24620455 0.77 MAP4K1 (0.51) MAP4K1ALKBTK
SCHEMBL24620202 0.75 MAP4K1 (0.41) MAP4K1ALKBTK
SCHEMBL24620240 0.75 MAP4K1 (0.54) MAP4K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO disclosed
Send feedback